Discovering Higher-Order Interactions Through Neural Information Decomposition

If regularity in data takes the form of higher-order functions among groups of variables, models which are biased towards lower-order functions may easily mistake the data for noise. To distinguish whether this is the case, one must be able to quantify the contribution of different orders of dependence to the total information. Recent work in information theory attempts to do this through measures of multivariate mutual information (MMI) and information decomposition (ID). Despite substantial theoretical progress, practical issues related to tractability and learnability of higher-order functions are still largely unaddressed. In this work, we introduce a new approach to information decomposition—termed Neural Information Decomposition (NID)—which is both theoretically grounded, and can be efficiently estimated in practice using neural networks. We show on synthetic data that NID can learn to distinguish higher-order functions from noise, while many unsupervised probability models cannot. Additionally, we demonstrate the usefulness of this framework as a tool for exploring biological and artificial neural networks.     

Disordered ground states for classical discrete-state problems in one dimension

It is known that one-dimensional lattice problems with a discrete, finite set of states per site generically have periodic ground states (GSs). We consider slightly less generic cases, in which the Hamiltonian is constrained by either spin (S) or spatial (I) inversion symmetry (or both). We show that such constraints give rise to the possibility ofdisordered GSs over a finite fraction of the coupling-parameter space—that is, without invoking any nongeneric fine tuning of coupling constants, beyond that arising from symmetry. We find that such disordered GSs can arise for many values of the number of statesk at each site and the ranger of the interaction. The Ising (k=2) case is the least prone to disorder:I symmetry allows for disordered GSs (without fine tuning) only forr5, whileS symmetry never gives rise to disordered GSs.     

Sporolides A and B: structurally unprecedented halogenated macrolides from the marine actinomycete Salinispora tropica

[structure: see text] Analysis of the fermentation broth of a strain of the marine actinomycete Salinispora tropica has led to the isolation of two unprecedented macrolides, sporolides A (1) and B (2). The structures and absolute stereochemistries of both metabolites were elucidated using a combination of NMR spectroscopy and X-ray crystallography.     

Application of glycodiversification: expedient synthesis and antibacterial evaluation of a library of kanamycin B analogues

[reaction: see text] The expedient synthesis of a library of kanamycin B analogues is reported. The revealed SAR will guide future designs in developing kanamycin-type aminoglycoside antibiotics against drug-resistant bacteria.     

Electron-stimulated production of molecular hydrogen at the interfaces of amorphous solid water films on Pt(111)

The electron-stimulated production of molecular hydrogen (D(2), HD, and H(2)) from amorphous solid water (ASW) deposited on Pt(111) is investigated. Experiments with isotopically layered films of H(2)O and D(2)O are used to profile the spatial distribution of the electron-stimulated reactions leading to hydrogen within the water films. The molecular hydrogen yield has two components that have distinct reaction kinetics due to reactions that occur at the ASW/Pt interface and the ASW/vacuum interface, but not in the bulk. However, the molecular hydrogen yield as a function of the ASW film thickness in both pure and isotopically layered films indicates that the energy for the reactions is absorbed in the bulk of the films and electronic excitations migrate to the interfaces where they drive the reactions.     

Parallel single-cell optical transit dielectrophoresis cytometer

In this work, we present an optical transit DEP flow cytometer for parallel single-cell analysis. Each cell's dielectric property is inferred from velocity perturbations due to DEP actuation in a microfluidic channel. Dual LED sources facilitate velocity measurement by producing two transit shadows for each cell passing through the channel. These shadows are detected using a 256-pixel linear optical array detector. Massively parallel analysis is possible as each pixel of the detector can independently analyze the passing cells. A wide channel (∼18 mm) was employed to carry many particles simultaneously, and the system was capable of detecting the velocity of over 200 cells simultaneously. We have achieved analysis rates for 10 µm diameter polystyrene spheres response exceeding 250 per second. With appropriate calibration, this DEP cytometer can quantitatively measure the dielectric response. The dielectric response (Clausius–Mossotti factor) of viable CHO cells was measured over the frequency range of 100 kHz to 6 MHz, and the obtained response matches the previously measured values by our group. The DEP cytometer uses simple modular components to achieve high throughput label-free single-cell dielectric analysis and can begin analyzing particles within 10 s after starting to pump the sample into the channel.     

Oxadiazole-metal interface: from isolated molecules to pi-stacking

Derivatives of 2,5-diaryl-1,3,4-oxadiazole are used widely for electron transport in organic light emitting diodes (OLED). This study addresses the structure of 2,5-diphenyl-1,3,4-oxadiazole (PPD) molecules on Cu(111) using scanning tunneling microscopy (STM) and density function theory (DFT): at incomplete coverage, PPD molecules are found horizontally on the surface; once the surface area is insufficient to accommodate all adsorbates in this fashion, a pi-stacked film of vertically arranged molecules is formed. In contrast to bulk PPD, in this film, the molecules are arranged face-to-face at a separation of square root(3a0) = 4.4 A as imposed by the substrate interatomic spacing along the [-2 1 1] direction.     

Novel europium and osmium complexes for pure red light emitting diode applications

Pure and efficient red light-emitting diodes based on novel europium (Eu) and osmium (Os) complexes were demonstrated. The Eu complex, with dendron substituted diketone ligands, exhibits high photoluminescence efficiency of 45%. When a copolymer containing carbazole and 1,3,4-oxadiazole groups was used as the host, narrow electroluminescence at 617 nm was achieved, with a full width at half maximum of 4 nm and a maximum external quantum efficiency (η) of 0.80%. The Os complex shows pure red emission peaking at 650 nm. The Commission Internationale de l'Eclairage (CIE) chromaticity coordinates (x, y) are (0.65, 0.33). Maximum η and brightness achieved were 0.82% and 590 cd/m², respectively.